1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one

C9H16N2OSi — CID 175318803

IUPAC1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn[nH]c1[Si](C)(C)C
InChIInChI=1S/C9H16N2OSi/c1-7(12)5-8-6-10-11-9(8)13(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKeyNMHRWDUUAANVQC-UHFFFAOYSA-N
MW196.33 g/mol
LogP1.09
Rot. Bonds3

About 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one

1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one (PubChem CID 175318803) has the molecular formula C9H16N2OSi and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one
PubChem CID175318803
Molecular FormulaC9H16N2OSi
Molecular Weight196.33 g/mol
Exact Mass196.10
IUPAC Name1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn[nH]c1[Si](C)(C)C
InChIInChI=1S/C9H16N2OSi/c1-7(12)5-8-6-10-11-9(8)13(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKeyNMHRWDUUAANVQC-UHFFFAOYSA-N
XLogP1.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-(5-bromo-1H-pyrazol-4-yl)acetic acid
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3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyloxolane-2-carboxamide
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4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
1-[4-(2-chloro-2,2-difluoroethyl)-1H-pyrazol-5-yl]ethanone
CID 123610176
2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride
CID 162254126
5-bromo-4-ethyl-1H-pyrazole
CID 84655098
2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide
CID 155432030

Frequently Asked Questions

What is the IUPAC name of 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one (CID 175318803) is 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one is CC(=O)Cc1cn[nH]c1[Si](C)(C)C.
What is the InChIKey of 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one?
The InChIKey is NMHRWDUUAANVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OSi/c1-7(12)5-8-6-10-11-9(8)13(2,3)4/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one?
1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one has a molecular weight of 196.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one is sourced from PubChem (CID 175318803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).